2-HYDROXYPROPYL-BETA-CYCLODEXTRIN


SMILES CC(O)COC[C@H]1O[C@@H]2O[C@@H]3[C@@H](COCC(C)O)O[C@H](O[C@@H]4[C@@H](COCC(C)O)O[C@H](O[C@@H]5[C@@H](COCC(C)O)O[C@H](O[C@@H]6[C@@H](COCC(C)O)O[C@H](O[C@@H]7[C@@H](COCC(C)O)O[C@H](O[C@@H]8[C@@H](COCC(C)O)O[C@H](O[C@H]1[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O
InChIKey ODLHGICHYURWBS-LKONHMLTSA-N

Chemical properties

Hydrogen bond acceptors 42
Hydrogen bond donors 21
Rotatable bonds 28
Molecular weight (Da) 1540.7

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.08 6.08 6.08 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pIC50 7.2 7.2 7.2 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pIC50 5.8 5.8 5.8 ChEMBL